2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine

C10H18FNO — CID 129059984

IUPAC2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOC1CC=C(F)CC1
InChIInChI=1S/C10H18FNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3,10H,4-8H2,1-2H3
InChIKeyTVEAYRMFMUUGGE-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.97
Rot. Bonds4

About 2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine

2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine (PubChem CID 129059984) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine
PubChem CID129059984
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOC1CC=C(F)CC1
InChIInChI=1S/C10H18FNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3,10H,4-8H2,1-2H3
InChIKeyTVEAYRMFMUUGGE-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine (CID 129059984) is 2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine is CN(C)CCOC1CC=C(F)CC1.
What is the InChIKey of 2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine?
The InChIKey is TVEAYRMFMUUGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3,10H,4-8H2,1-2H3.
What are the key properties of 2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine?
2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine has a molecular weight of 187.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohex-3-en-1-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 129059984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).